3-(1-tert-butyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)-N-(3-chloranyl-4-fluoranyl-phenyl)propanamide

Systemtic Name: 3-(1-tert-butyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)-N-(3-chloranyl-4-fluoranyl-phenyl)propanamide Openeye Name: 3-(1-tert-butyl-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl)-N-(3-chloro-4-fluoro-phenyl)propanamide CAS Name: 3-(1-tert-butyl-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl)-N-(3-chloro-4-fluorophenyl)propanamide IUPAC Name: 3-(1-tert-butyl-4-oxopyrazolo[3,4-d]pyrimidin-5-yl)-N-(3-chloro-4-fluorophenyl)propanamide Traditional Name: 3-(1-tert-butyl-4-keto-pyrazolo[3,4-d]pyrimidin-5-yl)-N-(3-chloro-4-fluoro-phenyl)propionamide Formula: C18H19ClFN5O2 MolecularWeight: 391.827163

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C2=C(C=N1)C(=O)N(C=N2)CCC(=O)NC3=CC(=C(C=C3)F)Cl

Isomeric SMILES

CC(C)(C)N1C2=C(C=N1)C(=O)N(C=N2)CCC(=O)NC3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C18H19ClFN5O2/c1-18(2,3)25-16-12(9-22-25)17(27)24(10-21-16)7-6-15(26)23-11-4-5-14(20)13(19)8-11/h4-5,8-10H,6-7H2,1-3H3,(H,23,26)